2-(4-chlorophenyl)sulfanylethyl 2-methylquinoline-4-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-methylquinoline-4-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C19H16ClNO2S MolecularWeight: 357.85384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClNO2S/c1-13-12-17(16-4-2-3-5-18(16)21-13)19(22)23-10-11-24-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3